#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ig4 n ALA 2 N 0.00 2.09 -2.85 3.04 0.00 -1.26 -4.67 120.51 116.86 1ig4 n ALA 2 Ca 0.00 -0.77 -0.44 0.00 0.00 0.00 0.00 53.44 52.23 1ig4 n ALA 2 Cb 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 1ig4 n ALA 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ig4 s GLU 3 N -2.99 3.90 0.00 0.00 2.12 -1.21 -2.91 118.70 117.60 1ig4 s GLU 3 Ca -0.07 -2.14 0.00 0.00 0.36 0.00 0.00 54.97 53.12 1ig4 s GLU 3 Cb 0.09 -5.13 0.00 0.00 0.26 0.00 0.00 34.13 29.36 1ig4 s GLU 3 CO 0.85 -1.89 0.00 -0.40 -0.54 0.00 0.00 175.26 173.28 1ig4 n ASP 4 N 6.61 0.84 -3.27 -1.70 5.68 -1.26 -5.00 116.55 118.45 1ig4 n ASP 4 Ca 0.35 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.59 1ig4 n ASP 4 Cb 0.46 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.39 1ig4 n ASP 4 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 1ig4 s TRP 5 N 1.02 -1.15 0.26 2.11 0.52 -1.26 -4.41 118.94 116.03 1ig4 s TRP 5 Ca 0.00 0.97 0.08 0.00 0.02 0.00 0.00 56.10 57.17 1ig4 s TRP 5 Cb 0.00 0.15 -0.04 0.00 -1.15 0.00 0.00 33.47 32.43 1ig4 s TRP 5 CO 0.00 -0.84 0.13 -0.51 0.02 0.00 0.00 176.95 175.74 1ig4 s LEU 6 N 2.65 3.58 1.08 2.99 1.43 0.14 -4.85 118.68 125.70 1ig4 s LEU 6 Ca 0.14 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 1ig4 s LEU 6 Cb -0.14 -2.11 0.24 0.00 0.03 0.00 0.00 46.19 44.21 1ig4 s LEU 6 CO -0.21 -0.04 1.07 -1.81 0.23 0.00 0.00 176.35 175.59 1ig4 s ASP 7 N -3.79 1.61 -0.38 2.29 1.11 -1.26 0.22 116.67 116.47 1ig4 s ASP 7 Ca 0.33 1.76 0.02 0.00 0.18 0.00 0.00 52.55 54.84 1ig4 s ASP 7 Cb -0.07 -2.40 0.15 0.00 1.07 0.00 0.00 42.92 41.67 1ig4 s ASP 7 CO 0.23 -3.85 0.33 0.00 1.18 0.00 0.00 175.17 173.06 1ig4 n PRO 9 N 3.79 0.40 0.15 0.00 -0.04 -1.26 -3.45 135.00 134.58 1ig4 n PRO 9 Ca 0.16 0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 1ig4 n PRO 9 Cb 0.43 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.91 1ig4 n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ig4 n ALA 10 N -1.12 0.99 0.00 0.55 0.00 -1.26 -4.19 120.51 115.48 1ig4 n ALA 10 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1ig4 n ALA 10 Cb 0.09 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1ig4 n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ig4 n LEU 11 N -2.17 0.02 0.00 0.00 4.32 -1.22 -4.46 117.00 113.48 1ig4 n LEU 11 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ig4 n LEU 11 Cb 0.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1ig4 n LEU 11 CO 0.08 -0.51 0.00 0.61 -1.22 0.00 0.00 177.39 176.35 1ig4 n GLY 12 N 2.48 1.31 3.76 -0.72 0.00 -1.26 -5.11 105.19 105.64 1ig4 n GLY 12 Ca 0.00 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 1ig4 n GLY 12 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ig4 s PRO 13 N -0.42 4.61 0.00 1.61 0.04 -1.26 -3.47 135.00 136.10 1ig4 s PRO 13 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ig4 s PRO 13 Cb 0.00 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1ig4 s PRO 13 CO 0.00 0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.61 1ig4 n GLY 14 N 1.20 2.80 3.75 0.56 0.00 -1.26 -4.57 105.19 107.67 1ig4 n GLY 14 Ca -0.01 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1ig4 n GLY 14 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ig4 n TRP 15 N 0.00 2.86 -4.28 1.61 7.02 -1.23 -4.16 117.44 119.26 1ig4 n TRP 15 Ca 0.00 0.38 -0.17 0.00 -1.02 0.00 0.00 57.50 56.68 1ig4 n TRP 15 Cb 0.00 -2.55 -0.14 0.00 -2.42 0.00 0.00 31.31 26.20 1ig4 n TRP 15 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1ig4 s LYS 16 N -1.38 0.63 0.09 -0.99 2.47 -1.06 -2.84 119.74 116.65 1ig4 s LYS 16 Ca 0.58 -0.32 0.09 0.00 -1.56 0.00 0.00 55.97 54.76 1ig4 s LYS 16 Cb -0.50 -0.60 -0.03 0.00 -1.46 0.00 0.00 37.83 35.24 1ig4 s LYS 16 CO 0.57 0.16 -0.23 -0.98 0.16 0.00 0.00 175.35 175.04 1ig4 s ARG 17 N -0.29 1.32 0.01 4.03 1.70 0.13 -1.29 118.95 124.56 1ig4 s ARG 17 Ca 0.02 -1.14 0.02 0.00 -0.47 0.00 0.00 55.73 54.17 1ig4 s ARG 17 Cb -0.04 -1.59 -0.01 0.00 -0.57 0.00 0.00 34.95 32.75 1ig4 s ARG 17 CO -0.00 0.39 -0.06 0.50 -1.08 0.00 0.00 175.30 175.04 1ig4 s ARG 18 N -1.67 0.47 -0.20 3.89 3.52 0.12 0.27 118.95 125.34 1ig4 s ARG 18 Ca 0.09 -0.38 -0.10 0.00 -0.13 0.00 0.00 55.73 55.21 1ig4 s ARG 18 Cb -0.10 -0.38 -0.05 0.00 -1.56 0.00 0.00 34.95 32.87 1ig4 s ARG 18 CO 0.04 0.09 0.13 -1.21 -0.81 0.00 0.00 175.30 173.54 1ig4 s GLU 19 N -0.62 4.17 -0.49 5.12 2.02 -1.15 -1.09 118.70 126.66 1ig4 s GLU 19 Ca -0.02 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.73 1ig4 s GLU 19 Cb -0.05 -3.41 0.13 0.00 0.10 0.00 0.00 34.13 30.90 1ig4 s GLU 19 CO 0.00 0.28 0.27 0.08 0.02 0.00 0.00 175.26 175.91 1ig4 s VAL 20 N 0.41 3.16 -0.22 2.63 1.01 0.17 -3.36 120.40 124.21 1ig4 s VAL 20 Ca 0.08 -2.62 -0.06 0.00 0.00 0.00 0.00 61.98 59.37 1ig4 s VAL 20 Cb -0.11 -3.15 -0.24 0.00 0.00 0.00 0.00 36.38 32.87 1ig4 s VAL 20 CO -0.01 -0.76 3.52 0.33 0.00 0.00 0.00 175.10 178.18 1ig4 n PHE 21 N 3.91 0.32 -0.88 5.22 -0.00 -1.26 0.29 117.46 125.07 1ig4 n PHE 21 Ca 0.03 -1.70 0.09 0.00 -0.00 0.00 0.00 57.45 55.87 1ig4 n PHE 21 Cb 0.39 -1.71 -0.03 0.00 -0.00 0.00 0.00 39.48 38.12 1ig4 n PHE 21 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ig4 n ARG 22 N 2.65 -1.51 0.00 -4.13 5.12 0.03 -4.26 116.66 114.55 1ig4 n ARG 22 Ca 0.48 1.09 0.00 0.00 -1.93 0.00 0.00 57.85 57.48 1ig4 n ARG 22 Cb 0.82 -1.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1ig4 n ARG 22 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1ig4 n LYS 23 N -2.86 0.00 -3.81 5.56 4.81 -1.26 -4.81 118.16 115.79 1ig4 n LYS 23 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1ig4 n LYS 23 Cb 0.59 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.87 1ig4 n LYS 23 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1ig4 n SER 24 N -2.23 0.00 0.00 3.14 3.41 -1.26 -4.96 113.62 111.71 1ig4 n SER 24 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ig4 n SER 24 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1ig4 n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ig4 n GLY 25 N -0.62 1.38 1.33 5.00 0.00 -1.26 -4.31 105.19 106.71 1ig4 n GLY 25 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ig4 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ig4 n ALA 26 N -0.04 2.69 1.01 4.61 0.00 -1.26 -4.78 120.51 122.74 1ig4 n ALA 26 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1ig4 n ALA 26 Cb 0.00 0.04 0.54 0.00 0.00 0.00 0.00 19.45 20.03 1ig4 n ALA 26 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ig4 n THR 27 N -2.24 0.33 -1.34 0.00 -2.24 -1.26 -4.89 114.28 102.64 1ig4 n THR 27 Ca 0.00 0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 1ig4 n THR 27 Cb 0.04 -0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 67.53 1ig4 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ig4 n GLY 29 N 2.21 3.30 3.83 0.00 0.00 -1.26 -5.00 105.19 108.27 1ig4 n GLY 29 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1ig4 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ig4 s ARG 30 N -0.98 3.92 -0.31 1.61 0.52 -1.03 -4.84 118.95 117.84 1ig4 s ARG 30 Ca 0.00 1.08 0.02 0.00 -0.52 0.00 0.00 55.73 56.31 1ig4 s ARG 30 Cb 0.00 -2.13 0.08 0.00 0.52 0.00 0.00 34.95 33.42 1ig4 s ARG 30 CO 0.00 -0.30 0.00 0.45 0.02 0.00 0.00 175.30 175.48 1ig4 s SER 31 N -2.67 4.74 -0.25 0.23 0.15 -1.25 -0.79 113.70 113.85 1ig4 s SER 31 Ca 0.61 -1.72 -0.11 0.00 0.70 0.00 0.00 55.95 55.43 1ig4 s SER 31 Cb -0.11 -1.64 -0.05 0.00 -1.71 0.00 0.00 66.02 62.51 1ig4 s SER 31 CO 0.26 -0.31 0.20 -1.81 1.20 0.00 0.00 173.24 172.77 1ig4 s ASP 32 N 1.15 6.13 -0.36 5.45 1.11 0.14 -4.79 116.67 125.50 1ig4 s ASP 32 Ca 0.01 0.13 -0.14 0.00 0.18 0.00 0.00 52.55 52.72 1ig4 s ASP 32 Cb -0.20 -2.12 -0.01 0.00 1.07 0.00 0.00 42.92 41.66 1ig4 s ASP 32 CO -0.05 0.02 0.30 -0.89 1.18 0.00 0.00 175.17 175.73 1ig4 s THR 33 N 1.26 5.23 -0.03 -1.27 2.01 -1.26 0.45 115.64 122.03 1ig4 s THR 33 Ca 0.09 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1ig4 s THR 33 Cb -0.14 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1ig4 s THR 33 CO 0.06 -0.13 0.00 -0.31 -0.69 0.00 0.00 174.62 173.56 1ig4 s TYR 34 N 1.83 3.11 0.02 4.92 2.02 -0.25 -4.69 117.35 124.31 1ig4 s TYR 34 Ca 0.08 0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.90 1ig4 s TYR 34 Cb -0.17 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 1ig4 s TYR 34 CO 0.11 0.47 -0.02 1.52 -1.57 0.00 0.00 175.55 176.05 1ig4 s TYR 35 N -1.02 0.23 0.14 2.71 -0.85 -0.97 0.10 117.35 117.70 1ig4 s TYR 35 Ca 0.17 -0.48 0.04 0.00 -0.52 0.00 0.00 57.07 56.29 1ig4 s TYR 35 Cb -0.11 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 1ig4 s TYR 35 CO 0.08 -0.18 0.14 -1.14 -1.52 0.00 0.00 175.55 172.93 1ig4 s GLN 36 N -1.33 2.97 0.67 -3.49 0.74 -0.42 -0.51 119.66 118.29 1ig4 s GLN 36 Ca -0.15 -0.80 -0.10 0.00 0.05 0.00 0.00 55.36 54.37 1ig4 s GLN 36 Cb -0.09 -2.71 0.16 0.00 1.10 0.00 0.00 33.01 31.47 1ig4 s GLN 36 CO -0.01 0.51 0.36 -1.13 -0.55 0.00 0.00 175.29 174.47 1ig4 n SER 37 N -0.20 -2.73 -0.02 6.67 3.41 0.39 -2.55 113.62 118.59 1ig4 n SER 37 Ca -0.08 -0.36 0.14 0.00 -0.26 0.00 0.00 58.87 58.30 1ig4 n SER 37 Cb 0.54 -0.46 0.55 0.00 -0.26 0.00 0.00 64.21 64.57 1ig4 n SER 37 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ig4 n PRO 38 N -2.90 0.14 -0.40 4.33 -0.04 -1.26 -3.73 135.00 131.14 1ig4 n PRO 38 Ca 0.06 -0.03 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1ig4 n PRO 38 Cb 0.25 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 1ig4 n PRO 38 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ig4 n THR 39 N -1.40 0.00 0.00 0.52 5.66 -1.26 -4.35 114.28 113.45 1ig4 n THR 39 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1ig4 n THR 39 Cb 0.32 0.07 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 1ig4 n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ig4 n GLY 40 N 0.00 -0.35 0.00 1.09 0.00 -1.26 -5.16 105.19 99.51 1ig4 n GLY 40 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ig4 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ig4 n ASP 41 N 0.00 0.00 -4.69 1.61 9.92 -1.26 -4.89 116.55 117.24 1ig4 n ASP 41 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1ig4 n ASP 41 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1ig4 n ASP 41 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ig4 s ARG 42 N 0.00 4.42 0.03 -1.24 6.06 -1.26 0.15 118.95 127.11 1ig4 s ARG 42 Ca 0.00 1.38 0.05 0.00 -2.50 0.00 0.00 55.73 54.66 1ig4 s ARG 42 Cb 0.00 -3.54 -0.03 0.00 0.06 0.00 0.00 34.95 31.43 1ig4 s ARG 42 CO 0.00 -0.31 -0.11 0.42 -2.50 0.00 0.00 175.30 172.80 1ig4 s ILE 43 N 2.00 3.35 -0.12 4.11 1.09 0.34 -4.91 121.20 127.05 1ig4 s ILE 43 Ca 0.48 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 59.05 1ig4 s ILE 43 Cb -0.18 -2.47 0.02 0.00 -1.06 0.00 0.00 42.46 38.77 1ig4 s ILE 43 CO 0.18 0.32 0.70 0.54 -0.10 0.00 0.00 174.94 176.59 1ig4 n ARG 44 N 1.39 0.47 -0.84 2.79 1.74 -1.26 -2.29 116.66 118.67 1ig4 n ARG 44 Ca -0.15 -0.91 0.00 0.00 -0.77 0.00 0.00 57.85 56.02 1ig4 n ARG 44 Cb 0.52 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 1ig4 n ARG 44 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ig4 n SER 45 N -0.10 0.00 0.10 0.55 2.88 -1.26 -4.83 113.62 110.96 1ig4 n SER 45 Ca 0.01 -0.57 -0.23 0.00 -1.33 0.00 0.00 58.87 56.76 1ig4 n SER 45 Cb 0.11 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.43 1ig4 n SER 45 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ig4 h LYS 46 N 0.00 0.56 0.16 -1.46 3.64 -1.96 -2.89 116.57 114.61 1ig4 h LYS 46 Ca 0.00 -0.81 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 1ig4 h LYS 46 Cb 0.00 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1ig4 h LYS 46 CO 0.00 1.37 -0.13 0.28 -2.27 0.00 0.00 179.45 178.70 1ig4 h VAL 47 N 0.14 0.72 -0.98 2.00 2.07 -1.97 0.39 116.25 118.63 1ig4 h VAL 47 Ca -0.20 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.52 1ig4 h VAL 47 Cb 1.93 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 32.33 1ig4 h VAL 47 CO 0.23 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 178.11 1ig4 h GLU 48 N -0.29 0.59 -0.27 1.57 4.39 -1.95 0.38 114.58 119.00 1ig4 h GLU 48 Ca -0.00 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1ig4 h GLU 48 Cb 0.27 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1ig4 h GLU 48 CO -0.01 0.39 -0.06 1.25 -1.16 0.00 0.00 179.01 179.41 1ig4 h LEU 49 N 0.61 0.53 -1.80 1.33 5.85 -0.96 -2.16 115.31 118.71 1ig4 h LEU 49 Ca 0.54 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1ig4 h LEU 49 Cb 1.05 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1ig4 h LEU 49 CO -0.30 0.77 0.00 0.74 -0.34 0.00 0.00 178.44 179.31 1ig4 h THR 50 N 0.28 0.00 0.15 1.05 2.02 0.37 -2.73 112.91 114.05 1ig4 h THR 50 Ca 0.07 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1ig4 h THR 50 Cb 0.54 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1ig4 h THR 50 CO 0.03 0.00 -0.07 0.03 0.37 0.00 0.00 175.52 175.87 1ig4 h ARG 51 N 0.00 -0.20 -0.01 6.66 3.08 -0.14 -1.48 114.38 122.29 1ig4 h ARG 51 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1ig4 h ARG 51 Cb 0.15 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1ig4 h ARG 51 CO 0.00 -0.13 0.06 -0.92 -1.07 0.00 0.00 179.97 177.91 1ig4 h TYR 52 N -0.99 0.00 0.00 3.04 3.20 -1.46 0.02 116.97 120.78 1ig4 h TYR 52 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1ig4 h TYR 52 Cb 0.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.43 1ig4 h TYR 52 CO 0.00 0.00 -1.12 1.28 -1.64 0.00 0.00 178.16 176.69 1ig4 n LEU 53 N -3.20 0.65 0.00 2.82 4.77 -1.04 -5.07 117.00 115.94 1ig4 n LEU 53 Ca -0.03 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1ig4 n LEU 53 Cb 0.13 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1ig4 n LEU 53 CO 0.21 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1ig4 n GLY 54 N 1.25 2.67 0.26 -0.72 0.00 -0.01 -4.52 105.19 104.12 1ig4 n GLY 54 Ca 0.00 -1.87 0.16 0.00 0.00 0.00 0.00 46.02 44.32 1ig4 n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ig4 h PRO 55 N 0.00 0.00 -0.57 1.61 0.13 -1.83 -2.52 132.00 128.81 1ig4 h PRO 55 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ig4 h PRO 55 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ig4 h PRO 55 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1ig4 n ALA 56 N -2.05 2.80 -3.32 -0.56 0.00 -1.26 -4.45 120.51 111.67 1ig4 n ALA 56 Ca 0.01 -0.94 -0.27 0.00 0.00 0.00 0.00 53.44 52.24 1ig4 n ALA 56 Cb 0.30 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 1ig4 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ig4 n ASP 58 N 0.63 -0.28 -2.68 0.00 9.92 -1.26 -4.75 116.55 118.13 1ig4 n ASP 58 Ca 0.30 0.42 -0.09 0.00 -0.53 0.00 0.00 54.79 54.88 1ig4 n ASP 58 Cb 0.41 -1.40 0.03 0.00 -0.64 0.00 0.00 41.12 39.52 1ig4 n ASP 58 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ig4 n LEU 59 N -3.26 1.31 0.25 0.64 4.77 -1.26 -4.90 117.00 114.54 1ig4 n LEU 59 Ca 0.11 -3.75 0.10 0.00 -0.03 0.00 0.00 56.01 52.44 1ig4 n LEU 59 Cb 0.52 0.43 0.66 0.00 -2.33 0.00 0.00 43.42 42.70 1ig4 n LEU 59 CO 0.49 1.60 0.97 0.74 -1.33 0.00 0.00 177.39 179.86 1ig4 h THR 60 N 2.90 0.82 0.00 -5.08 2.02 -2.00 -1.46 112.91 110.11 1ig4 h THR 60 Ca -0.10 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1ig4 h THR 60 Cb 1.18 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1ig4 h THR 60 CO 0.48 0.12 0.00 -0.07 0.37 0.00 0.00 175.52 176.42 1ig4 h LEU 61 N 0.00 0.00-10.02 2.58 3.38 -1.91 -3.42 115.31 105.92 1ig4 h LEU 61 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1ig4 h LEU 61 Cb 0.26 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.08 1ig4 h LEU 61 CO 0.02 0.00 0.49 0.12 0.09 0.00 0.00 178.44 179.15 1ig4 s PHE 62 N -3.29 2.78 -0.26 1.13 2.19 -0.55 -1.21 117.98 118.76 1ig4 s PHE 62 Ca 0.06 1.52 -0.06 0.00 0.33 0.00 0.00 56.93 58.79 1ig4 s PHE 62 Cb 0.07 -3.40 -0.00 0.00 -1.31 0.00 0.00 43.02 38.37 1ig4 s PHE 62 CO 0.62 -1.65 0.03 -0.51 1.83 0.00 0.00 175.22 175.55 1ig4 s ASP 63 N -1.40 4.83 0.51 6.13 1.11 -0.45 -4.87 116.67 122.53 1ig4 s ASP 63 Ca 0.66 -0.49 0.19 0.00 0.18 0.00 0.00 52.55 53.08 1ig4 s ASP 63 Cb -0.29 -1.84 1.28 0.00 1.07 0.00 0.00 42.92 43.15 1ig4 s ASP 63 CO 0.34 -0.10 2.09 0.15 1.18 0.00 0.00 175.17 178.83 1ig4 h PHE 64 N 8.18 0.05 0.00 4.23 3.57 -1.95 0.60 116.94 131.62 1ig4 h PHE 64 Ca -0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1ig4 h PHE 64 Cb 1.15 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1ig4 h PHE 64 CO 0.62 0.03 -0.32 1.17 -2.23 0.00 0.00 178.31 177.58 1ig4 n LYS 65 N -4.48 0.28 -0.11 1.11 3.00 -1.26 -4.41 118.16 112.28 1ig4 n LYS 65 Ca 0.02 0.41 0.02 0.00 -0.00 0.00 0.00 58.31 58.76 1ig4 n LYS 65 Cb 0.27 -1.32 0.32 0.00 0.00 0.00 0.00 35.03 34.30 1ig4 n LYS 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ig4 h GLN 66 N -0.61 0.78 -2.49 1.64 4.20 -1.98 -3.47 115.11 113.18 1ig4 h GLN 66 Ca 0.00 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 1ig4 h GLN 66 Cb 0.32 -0.17 0.04 0.00 0.30 0.00 0.00 27.48 27.97 1ig4 h GLN 66 CO 0.00 0.54 -0.19 0.41 -0.67 0.00 0.00 178.83 178.92 1ig4 n GLY 67 N -1.39 0.46 3.17 3.46 0.00 0.21 -4.98 105.19 106.12 1ig4 n GLY 67 Ca 0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 1ig4 n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ig4 s ILE 68 N -3.09 0.16 -1.35 -0.61 -4.36 -1.25 -4.02 121.20 106.68 1ig4 s ILE 68 Ca 0.11 -1.33 -0.13 0.00 -0.26 0.00 0.00 60.65 59.04 1ig4 s ILE 68 Cb -0.05 -1.36 0.10 0.00 1.25 0.00 0.00 42.46 42.39 1ig4 s ILE 68 CO 0.20 -0.73 1.94 0.18 0.24 0.00 0.00 174.94 176.77 1ig4 n LEU 69 N 0.01 6.24 0.00 0.37 4.77 -1.26 -1.33 117.00 125.80 1ig4 n LEU 69 Ca -0.15 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1ig4 n LEU 69 Cb 0.62 -1.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1ig4 n LEU 69 CO 0.24 0.96 0.00 0.00 -1.33 0.00 0.00 177.39 177.25 1ig4 n TYR 71 N 0.00 -0.97 -1.60 0.00 4.01 -1.26 -4.70 117.16 112.63 1ig4 n TYR 71 Ca 0.00 -3.19 -0.39 0.00 -0.16 0.00 0.00 57.90 54.16 1ig4 n TYR 71 Cb 0.00 0.08 -0.05 0.00 -0.31 0.00 0.00 39.34 39.06 1ig4 n TYR 71 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ig4 n PRO 72 N 1.30 1.85 -3.05 -0.72 -0.04 -1.26 -4.46 135.00 128.62 1ig4 n PRO 72 Ca 0.19 -2.24 -0.14 0.00 -0.04 0.00 0.00 63.50 61.26 1ig4 n PRO 72 Cb 0.57 -3.24 0.02 0.00 -0.04 0.00 0.00 33.50 30.80 1ig4 n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ig4 n ALA 73 N 9.30 -2.79 -1.69 0.55 0.00 -1.26 -4.93 120.51 119.70 1ig4 n ALA 73 Ca 0.49 0.69 -0.34 0.00 0.00 0.00 0.00 53.44 54.28 1ig4 n ALA 73 Cb 0.42 -2.48 0.01 0.00 0.00 0.00 0.00 19.45 17.40 1ig4 n ALA 73 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ig4 s PRO 74 N -2.20 3.33 0.00 0.00 0.04 -1.26 -5.08 135.00 129.84 1ig4 s PRO 74 Ca 0.21 1.37 0.32 0.00 0.04 0.00 0.00 61.00 62.94 1ig4 s PRO 74 Cb -0.04 -2.02 1.83 0.00 0.04 0.00 0.00 34.50 34.31 1ig4 s PRO 74 CO 0.71 -0.82 2.19 1.17 0.04 0.00 0.00 177.00 180.29